2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid

C11H24N2O2 — CID 63029021

IUPAC2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
SMILESCCCCCN(C)CCC(NC)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-4-5-6-8-13(3)9-7-10(12-2)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyWFISSOCQZPKGKX-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.17
Rot. Bonds9

About 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid

2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid (PubChem CID 63029021) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
PubChem CID63029021
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
SMILESCCCCCN(C)CCC(NC)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-4-5-6-8-13(3)9-7-10(12-2)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyWFISSOCQZPKGKX-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017
2-methyloctadecanoic acid;N-methyl-N-octadecyloctadecan-1-amine
CID 173165058
2-decyl-16-[decyl(methyl)amino]hexadecanoic acid
CID 87389190
(2R)-2-(methylamino)pentanoic acid
CID 15677248
5-[heptyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969860
(2S)-2-(methylamino)-5-oxo-5-(pentylamino)pentanoic acid
CID 90209237
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
5-(hexylamino)-2-(methylamino)-5-oxopentanoic acid
CID 168992251
CID 155195867
CID 155195867
copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid?
The IUPAC name of 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid (CID 63029021) is 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid.
What is the SMILES notation for 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid?
The canonical SMILES for 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid is CCCCCN(C)CCC(NC)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid?
The InChIKey is WFISSOCQZPKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-5-6-8-13(3)9-7-10(12-2)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid?
2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid is sourced from PubChem (CID 63029021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).